Double-buffered, heterogeneous CPU + GPU integral digestion algorithm for single-excitation calculations involving a large number of excited states.
Adrian F. MorrisonEvgeny EpifanovskyJohn M. HerbertPublished in: J. Comput. Chem. (2018)
Keyphrases
- computational complexity
- learning algorithm
- memory requirements
- experimental evaluation
- cost function
- high accuracy
- detection algorithm
- optimization algorithm
- dynamic programming
- k means
- parallel implementation
- space complexity
- times faster
- preprocessing
- expectation maximization
- gpu implementation
- computational cost
- np hard
- real time
- simulated annealing
- probabilistic model
- parallel computation
- buffer size
- randomized algorithm
- graphics processing units
- single scan
- recognition algorithm
- objective function
- data structure
- general purpose
- worst case
- search space